| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2010 | 17 | Yes |
Popular Name: 1-[(3-methylisoxazol-5-yl)methyl]-N-propyl-piperidin-4-amine 1-[(3-methylisoxazol-5-yl)methyl…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.74 | 5.45 | -42.04 | 2 | 4 | 1 | 42 | 238.355 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.74 | 6.63 | -112.11 | 3 | 4 | 2 | 47 | 239.363 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.74 | 4.38 | -43.09 | 2 | 4 | 1 | 46 | 238.355 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
